methyl 4-butan-2-yl-5-chloranyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-butan-2-yl-5-chloranyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-chloro-2-[(2-phenylacetyl)amino]-4-sec-butyl-thiophene-3-carboxylate CAS Name: 4-butan-2-yl-5-chloro-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-butan-2-yl-5-chloro-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-chloro-2-[(2-phenylacetyl)amino]-4-sec-butyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)Cl

Isomeric SMILES

CCC(C)C1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-4-11(2)14-15(18(22)23-3)17(24-16(14)19)20-13(21)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,20,21)