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

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,4-dichloroanilino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H16Cl2N2O3S MolecularWeight: 399.29154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O3S/c1-24-16(22)14-10-4-2-3-5-13(10)25-15(14)21-17(23)20-9-6-7-11(18)12(19)8-9/h6-8H,2-5H2,1H3,(H2,20,21,23)