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

Systemtic Name: ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18Cl2N2O3S MolecularWeight: 413.31812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N2O3S/c1-2-25-17(23)15-11-5-3-4-6-14(11)26-16(15)22-18(24)21-10-7-8-12(19)13(20)9-10/h7-9H,2-6H2,1H3,(H2,21,22,24)