methyl 2-[[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate Openeye Name: methyl 2-[[2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]carbamoyl]benzoate CAS Name: 2-[[[2-[[2-(methylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate Traditional Name: 2-[[2-[[2-keto-2-(methylamino)ethyl]thio]-4-phenyl-thiazol-5-yl]carbamoyl]benzoic acid methyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC(=C(S1)NC(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)CSC1=NC(=C(S1)NC(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S2/c1-22-16(25)12-29-21-23-17(13-8-4-3-5-9-13)19(30-21)24-18(26)14-10-6-7-11-15(14)20(27)28-2/h3-11H,12H2,1-2H3,(H,22,25)(H,24,26)