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

Systemtic Name: methyl 2-[2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H16N4O4S3 MolecularWeight: 460.54974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4S3/c1-3-7-23-13-5-4-12(17(26)27-2)9-14(13)30-19(23)22-16(25)11-28-10-15(24)21-18-20-6-8-29-18/h1,4-6,8-9H,7,10-11H2,2H3,(H,20,21,24)