ethyl 2-[2-[2-[(6-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[(6-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[2-[(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-[(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C25H28ClN3O4S3 MolecularWeight: 566.15552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC

InChI

InChI=1S/C25H28ClN3O4S3/c1-3-29-17-11-10-15(26)12-19(17)36-25(29)28-21(31)14-34-13-20(30)27-23-22(24(32)33-4-2)16-8-6-5-7-9-18(16)35-23/h10-12H,3-9,13-14H2,1-2H3,(H,27,30)