ethyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3CCCCC3)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3CCCCC3)S2)CC#C

InChI

InChI=1S/C23H27N3O4S2/c1-3-12-26-18-11-10-16(22(29)30-4-2)13-19(18)32-23(26)25-21(28)15-31-14-20(27)24-17-8-6-5-7-9-17/h1,10-11,13,17H,4-9,12,14-15H2,2H3,(H,24,27)