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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)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-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 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-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

InChI

InChI=1S/C19H23N3O4S/c1-2-9-20-19(25)21-15(23)12-26-18(24)16-13-7-3-4-8-14(13)27-17(16)22-10-5-6-11-22/h5-6,10-11H,2-4,7-9,12H2,1H3,(H2,20,21,23,25)