2-[(7-acetamido-1,2,3-trimethoxy-9-methylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-methylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-methylene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-methylene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-methylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-methylene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-4-(methylthio)butyric acid Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=C)C=C13)NC(CCSC)C(=O)O)OC)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=C)C=C13)NC(CCSC)C(=O)O)OC)OC)OC

InChI

InChI=1S/C27H34N2O6S/c1-15-13-19-18(8-10-20(15)29-22(27(31)32)11-12-36-6)24-17(7-9-21(19)28-16(2)30)14-23(33-3)25(34-4)26(24)35-5/h8,10,13-14,21-22,29H,1,7,9,11-12H2,2-6H3,(H,28,30)(H,31,32)