4-[[4-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: 4-[[4-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 4-[[4-[1-(3-methoxy-3-oxo-propyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-[1-(3-methoxy-3-oxopropyl)-2,5-dimethyl-3-pyrrolyl]-2-thiazolyl]amino]benzoate IUPAC Name: 4-[[4-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-[1-(3-keto-3-methoxy-propyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]amino]benzoate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-12-10-16(13(2)23(12)9-8-18(24)27-3)17-11-28-20(22-17)21-15-6-4-14(5-7-15)19(25)26/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)(H,25,26)/p-1