ethyl 4-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(2-anilino-4-oxo-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(2-anilino-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(2-anilino-4-keto-2-thiazolin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N=C(S3)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N=C(S3)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O3S/c1-4-31-24(30)18-10-12-21(13-11-18)28-16(2)14-19(17(28)3)15-22-23(29)27-25(32-22)26-20-8-6-5-7-9-20/h5-15H,4H2,1-3H3,(H,26,27,29)