methyl 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-chloroanilino)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-3-11-4-9-14-15(10-11)26-17(16(14)18(23)25-2)22-19(24)21-13-7-5-12(20)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H2,21,22,24)