[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O3S/c24-19(22-17-9-5-7-15-6-1-2-8-16(15)17)14-26-21(25)20-18(10-13-27-20)23-11-3-4-12-23/h1-4,6,8,10-13,17H,5,7,9,14H2,(H,22,24)