[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C21H25N3O4S/c25-17(23-21(27)22-14-7-1-2-8-14)13-28-20(26)18-15-9-3-4-10-16(15)29-19(18)24-11-5-6-12-24/h5-6,11-12,14H,1-4,7-10,13H2,(H2,22,23,25,27)