[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C)N3C=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-14-6-7-17(12-19(14)24-10-4-5-11-24)22(27)28-15(2)21(26)20-9-8-18(29-20)13-23-16(3)25/h4-12,15H,13H2,1-3H3,(H,23,25)