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

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C20H18N2O4S/c23-18(21-15-7-11-25-17-6-2-1-5-14(15)17)13-26-20(24)19-16(8-12-27-19)22-9-3-4-10-22/h1-6,8-10,12,15H,7,11,13H2,(H,21,23)