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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-2-19-18(24)20-14(22)11-25-17(23)15-12-7-3-4-8-13(12)26-16(15)21-9-5-6-10-21/h5-6,9-10H,2-4,7-8,11H2,1H3,(H2,19,20,22,24)