methyl 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H16N2O4S3 MolecularWeight: 408.51494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H16N2O4S3/c1-3-23-10-4-5-11-13(8-10)26-17(19-11)25-9-14(20)18-12-6-7-24-15(12)16(21)22-2/h4-8H,3,9H2,1-2H3,(H,18,20)