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

Systemtic Name: methyl (2Z)-2-[5-azanyl-6-cyano-7-(2-fluorophenyl)-3-oxidanylidene-8-[(phenylmethyl)carbamoyl]-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]ethanoate Openeye Name: methyl (2Z)-2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-7H-thiazolo[3,2-a]pyridin-2-ylidene]acetate CAS Name: (2Z)-2-[5-amino-6-cyano-7-(2-fluorophenyl)-3-oxo-8-[oxo-[(phenylmethyl)amino]methyl]-7H-thiazolo[3,2-a]pyridin-2-ylidene]acetic acid methyl ester IUPAC Name: methyl (2Z)-2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate Traditional Name: (2Z)-2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-keto-7H-thiazolo[3,2-a]pyridin-2-ylidene]acetic acid methyl ester Formula: C25H19FN4O4S MolecularWeight: 490.506163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(=O)N2C(=C(C(C(=C2S1)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4F)C#N)N

Isomeric SMILES

COC(=O)/C=C\1/C(=O)N2C(=C(C(C(=C2S1)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4F)C#N)N

InChI

InChI=1S/C25H19FN4O4S/c1-34-19(31)11-18-24(33)30-22(28)16(12-27)20(15-9-5-6-10-17(15)26)21(25(30)35-18)23(32)29-13-14-7-3-2-4-8-14/h2-11,20H,13,28H2,1H3,(H,29,32)/b18-11-