methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]thiazole-5-carboxylate CAS Name: 2-[[[2-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C20H15N3O3S3 MolecularWeight: 441.5464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O3S3/c1-26-18(25)16-10-21-19(28-16)23-17(24)13-7-3-2-6-12(13)11-27-20-22-14-8-4-5-9-15(14)29-20/h2-10H,11H2,1H3,(H,21,23,24)