(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C27H22N2O7S MolecularWeight: 518.53778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H22N2O7S/c1-15-5-7-19-17(10-24(31)36-25(19)16(15)2)12-33-27(32)20-4-3-9-28-26(20)37-13-23(30)29-18-6-8-21-22(11-18)35-14-34-21/h3-11H,12-14H2,1-2H3,(H,29,30)