methyl 2-(2-chloranylethanoylamino)-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-chloranylethanoylamino)-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloroacetyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-4-methyl-5-[oxo-(phenethylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloroacetyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[(2-chloroacetyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCl)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCl)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H19ClN2O4S/c1-11-14(18(24)25-2)17(21-13(22)10-19)26-15(11)16(23)20-9-8-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,20,23)(H,21,22)