methyl 5-methylsulfanyl-4-[(2-oxidanyl-1-phenyl-ethyl)carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[(2-oxidanyl-1-phenyl-ethyl)carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 4-[(2-hydroxy-1-phenyl-ethyl)carbamoyl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[[(2-hydroxy-1-phenylethyl)amino]-oxomethyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[(2-hydroxy-1-phenyl-ethyl)carbamoyl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C(=O)NC(CO)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C(=O)NC(CO)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S2/c1-21-15(20)13-8-11(16(22-2)23-13)14(19)17-12(9-18)10-6-4-3-5-7-10/h3-8,12,18H,9H2,1-2H3,(H,17,19)