2-[(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-3-mercapto-propionic acid Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O7S/c1-12(27)25-16-7-5-13-9-20(31-2)22(32-3)23(33-4)21(13)14-6-8-17(19(28)10-15(14)16)26-18(11-34)24(29)30/h6,8-10,16,18,34H,5,7,11H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)