(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C30H31NO5S MolecularWeight: 517.63584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H31NO5S/c1-18-6-7-23-22(12-28(33)36-25(23)8-18)16-35-29(34)24-4-2-3-5-26(24)37-17-27(32)31-30-13-19-9-20(14-30)11-21(10-19)15-30/h2-8,12,19-21H,9-11,13-17H2,1H3,(H,31,32)