methyl 4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-bis(oxidanylidene)butanoate

Systemtic Name: methyl 4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-bis(oxidanylidene)butanoate Openeye Name: methyl 4-[(3-chloro-1,4-dioxo-2-naphthyl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-butanoate CAS Name: 4-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]-2-[2-(3,5-diphenyl-1-pyrazolyl)-4-thiazolyl]-3,4-dioxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate Traditional Name: 4-[(3-chloro-1,4-diketo-2-naphthyl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-diketo-butyric acid methyl ester Formula: C33H21ClN4O6S MolecularWeight: 637.06104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl

Isomeric SMILES

COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C33H21ClN4O6S/c1-44-32(43)25(30(41)31(42)36-27-26(34)28(39)20-14-8-9-15-21(20)29(27)40)23-17-45-33(35-23)38-24(19-12-6-3-7-13-19)16-22(37-38)18-10-4-2-5-11-18/h2-17,25H,1H3,(H,36,42)