methyl 2-[[6-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenoxathiin-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[6-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenoxathiin-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[6-[(1-methoxycarbonyl-3-methyl-butyl)carbamoyl]phenoxathiine-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[6-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]-4-phenoxathiinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[6-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]phenoxathiine-4-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[6-[(1-carbomethoxy-3-methyl-butyl)carbamoyl]phenoxathiine-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C28H34N2O7S MolecularWeight: 542.64376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C2C(=CC=C1)SC3=CC=CC(=C3O2)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C2C(=CC=C1)SC3=CC=CC(=C3O2)C(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C28H34N2O7S/c1-15(2)13-19(27(33)35-5)29-25(31)17-9-7-11-21-23(17)37-24-18(10-8-12-22(24)38-21)26(32)30-20(14-16(3)4)28(34)36-6/h7-12,15-16,19-20H,13-14H2,1-6H3,(H,29,31)(H,30,32)