methyl 4-[(4S)-6-azanyl-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate

Systemtic Name: methyl 4-[(4S)-6-azanyl-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Openeye Name: methyl 4-[(4S)-6-amino-5-cyano-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate CAS Name: 4-[(4S)-6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4S)-6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Traditional Name: 4-[(4S)-6-amino-5-cyano-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N

InChI

InChI=1S/C19H14N4O3S/c1-25-19(24)11-6-4-10(5-7-11)14-12(9-20)17(21)26-18-15(14)16(22-23-18)13-3-2-8-27-13/h2-8,14H,21H2,1H3,(H,22,23)/t14-/m0/s1