methyl 2-[5-azanyl-6-cyano-7-(3-fluorophenyl)-8-[(4-methylphenyl)carbamoyl]-3-oxidanylidene-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]ethanoate

Systemtic Name: methyl 2-[5-azanyl-6-cyano-7-(3-fluorophenyl)-8-[(4-methylphenyl)carbamoyl]-3-oxidanylidene-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]ethanoate Openeye Name: methyl 2-[5-amino-6-cyano-7-(3-fluorophenyl)-3-oxo-8-(p-tolylcarbamoyl)-7H-thiazolo[3,2-a]pyridin-2-yl]acetate CAS Name: 2-[5-amino-6-cyano-7-(3-fluorophenyl)-8-[(4-methylanilino)-oxomethyl]-3-oxo-7H-thiazolo[3,2-a]pyridin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-amino-6-cyano-7-(3-fluorophenyl)-8-[(4-methylphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate Traditional Name: 2-[5-amino-6-cyano-7-(3-fluorophenyl)-3-keto-8-(p-tolylcarbamoyl)-7H-thiazolo[3,2-a]pyridin-2-yl]acetic acid methyl ester Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C3N(C(=O)C(S3)CC(=O)OC)C(=C(C2C4=CC(=CC=C4)F)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C3N(C(=O)C(S3)CC(=O)OC)C(=C(C2C4=CC(=CC=C4)F)C#N)N

InChI

InChI=1S/C25H21FN4O4S/c1-13-6-8-16(9-7-13)29-23(32)21-20(14-4-3-5-15(26)10-14)17(12-27)22(28)30-24(33)18(35-25(21)30)11-19(31)34-2/h3-10,18,20H,11,28H2,1-2H3,(H,29,32)