[2-(4-chloranylbutanoylamino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] benzoate

Systemtic Name: [2-(4-chloranylbutanoylamino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] benzoate Openeye Name: [2-(4-chlorobutanoylamino)-3-cyano-4,5,6,7-tetrahydrobenzothiophen-6-yl] benzoate CAS Name: benzoic acid [2-[(4-chloro-1-oxobutyl)amino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] ester IUPAC Name: [2-(4-chlorobutanoylamino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] benzoate Traditional Name: benzoic acid [2-(4-chlorobutanoylamino)-3-cyano-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1OC(=O)C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCCCl

Isomeric SMILES

C1CC2=C(CC1OC(=O)C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCCCl

InChI

InChI=1S/C20H19ClN2O3S/c21-10-4-7-18(24)23-19-16(12-22)15-9-8-14(11-17(15)27-19)26-20(25)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-11H2,(H,23,24)