ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(2-methylphenyl)methylsulfanylmethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(2-methylphenyl)methylsulfanylmethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-(o-tolylmethylsulfanylmethyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(2-methylphenyl)methylthio]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(2-methylphenyl)methylsulfanylmethyl]thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(2-methylbenzyl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSCC2=CC=CC=C2C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSCC2=CC=CC=C2C)C(=O)NC)N

InChI

InChI=1S/C18H22N2O3S2/c1-4-23-18(22)14-13(15(17(21)20-3)25-16(14)19)10-24-9-12-8-6-5-7-11(12)2/h5-8H,4,9-10,19H2,1-3H3,(H,20,21)