(phenylmethyl) 2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate Openeye Name: benzyl 2-amino-3-(3,4-dimethoxybenzoyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate CAS Name: 2-amino-3-[(3,4-dimethoxyphenyl)-oxomethyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-(3,4-dimethoxybenzoyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate Traditional Name: 2-amino-3-veratroyl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylic acid benzyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CN(C3)C(=O)OCC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CN(C3)C(=O)OCC4=CC=CC=C4)N)OC

InChI

InChI=1S/C23H22N2O5S/c1-28-17-9-8-15(10-18(17)29-2)21(26)20-16-11-25(12-19(16)31-22(20)24)23(27)30-13-14-6-4-3-5-7-14/h3-10H,11-13,24H2,1-2H3