methyl 4-[[9-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-9-sulfanylidene-nonanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[[9-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-9-sulfanylidene-nonanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[[9-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-9-thioxo-nonanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[9-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-1,9-bis(sulfanylidene)nonyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[[9-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-9-sulfanylidenenonanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[9-[(4-carbomethoxy-5-methyl-1H-pyrrol-3-yl)amino]-9-thioxo-nonanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H32N4O4S2 MolecularWeight: 492.65458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1)NC(=S)CCCCCCCC(=S)NC2=CNC(=C2C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CN1)NC(=S)CCCCCCCC(=S)NC2=CNC(=C2C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C23H32N4O4S2/c1-14-20(22(28)30-3)16(12-24-14)26-18(32)10-8-6-5-7-9-11-19(33)27-17-13-25-15(2)21(17)23(29)31-4/h12-13,24-25H,5-11H2,1-4H3,(H,26,32)(H,27,33)