[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

InChI

InChI=1S/C22H23NO4S/c1-4-26-18-9-7-17(8-10-18)22(25)27-14-21(24)20-12-15(2)23(16(20)3)13-19-6-5-11-28-19/h5-12H,4,13-14H2,1-3H3