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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)NC4CCCCCCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)NC4CCCCCCC4

InChI

InChI=1S/C29H32N2O6S/c1-19(32)30-22-13-14-23-20(15-28(34)37-25(23)16-22)17-36-29(35)24-11-7-8-12-26(24)38-18-27(33)31-21-9-5-3-2-4-6-10-21/h7-8,11-16,21H,2-6,9-10,17-18H2,1H3,(H,30,32)(H,31,33)