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

Systemtic Name: methyl 3-ethyl-2-[2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[2-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[1-oxo-2-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]ethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H18N4O4S3 MolecularWeight: 450.55492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3=NC=CS3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3=NC=CS3

InChI

InChI=1S/C18H18N4O4S3/c1-3-22-12-5-4-11(16(25)26-2)8-13(12)29-18(22)21-15(24)10-27-9-14(23)20-17-19-6-7-28-17/h4-8H,3,9-10H2,1-2H3,(H,19,20,23)