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

Systemtic Name: ethyl 2-[2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]ethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H18N4O4S3 MolecularWeight: 474.57632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3=NC=CS3)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)NC3=NC=CS3)S2)CC#C

InChI

InChI=1S/C20H18N4O4S3/c1-3-8-24-14-6-5-13(18(27)28-4-2)10-15(14)31-20(24)23-17(26)12-29-11-16(25)22-19-21-7-9-30-19/h1,5-7,9-10H,4,8,11-12H2,2H3,(H,21,22,25)