methyl (Z)-6-pyridin-3-yl-6-[2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]hex-5-enoate

Systemtic Name: methyl (Z)-6-pyridin-3-yl-6-[2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]hex-5-enoate Openeye Name: methyl (Z)-6-(3-pyridyl)-6-[2-[(6-thioxocyclohexa-1,3-dien-1-yl)sulfonylamino]indan-5-yl]hex-5-enoate CAS Name: (Z)-6-(3-pyridinyl)-6-[2-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-5-hexenoic acid methyl ester IUPAC Name: methyl (Z)-6-pyridin-3-yl-6-[2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]hex-5-enoate Traditional Name: (Z)-6-(3-pyridyl)-6-[2-[(6-thioxocyclohexa-1,3-dien-1-yl)sulfonylamino]indan-5-yl]hex-5-enoic acid methyl ester Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC2=C(CC(C2)NS(=O)(=O)C3=CC=CCC3=S)C=C1)C4=CN=CC=C4

Isomeric SMILES

COC(=O)CCC/C=C(/C1=CC2=C(CC(C2)NS(=O)(=O)C3=CC=CCC3=S)C=C1)\C4=CN=CC=C4

InChI

InChI=1S/C27H28N2O4S2/c1-33-27(30)11-5-2-8-24(21-7-6-14-28-18-21)20-13-12-19-16-23(17-22(19)15-20)29-35(31,32)26-10-4-3-9-25(26)34/h3-4,6-8,10,12-15,18,23,29H,2,5,9,11,16-17H2,1H3/b24-8-