[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H19N3O4S/c1-12-10-17(13(2)23(12)20-21-8-9-28-20)18(25)11-27-19(26)15-4-6-16(7-5-15)22-14(3)24/h4-10H,11H2,1-3H3,(H,22,24)