(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H30ClNO5S MolecularWeight: 528.0595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)NC4CCCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SCC(=O)NC4CCCCCCC4)Cl

InChI

InChI=1S/C28H30ClNO5S/c1-18-13-24-22(15-23(18)29)19(14-27(32)35-24)16-34-28(33)21-11-7-8-12-25(21)36-17-26(31)30-20-9-5-3-2-4-6-10-20/h7-8,11-15,20H,2-6,9-10,16-17H2,1H3,(H,30,31)