methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-[(2-methylthiazol-4-yl)methylthio]benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C20H20N2O3S3/c1-13-21-15(11-27-13)12-28-16-7-5-14(6-8-16)20(24)22-17(10-19(23)25-2)18-4-3-9-26-18/h3-9,11,17H,10,12H2,1-2H3,(H,22,24)