ethyl 3-[(3-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(3-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[(3-methoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(3-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H21NO4S/c1-3-24-19(22)17-16(14-9-4-5-10-15(14)25-17)18(21)20-12-7-6-8-13(11-12)23-2/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,21)