ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(phenylmethylsulfanyl)methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(phenylmethylsulfanyl)methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-(benzylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[(phenylmethylthio)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(benzylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[(benzylthio)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSCC2=CC=CC=C2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSCC2=CC=CC=C2)C(=O)NC)N

InChI

InChI=1S/C17H20N2O3S2/c1-3-22-17(21)13-12(14(16(20)19-2)24-15(13)18)10-23-9-11-7-5-4-6-8-11/h4-8H,3,9-10,18H2,1-2H3,(H,19,20)