methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-sulfanylidene-heptanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-sulfanylidene-heptanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-thioxo-heptanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-1,7-bis(sulfanylidene)heptyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-sulfanylideneheptanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[7-[(4-carbomethoxy-5-methyl-1H-pyrrol-3-yl)amino]-7-thioxo-heptanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S2/c1-12-18(20(26)28-3)14(10-22-12)24-16(30)8-6-5-7-9-17(31)25-15-11-23-13(2)19(15)21(27)29-4/h10-11,22-23H,5-9H2,1-4H3,(H,24,30)(H,25,31)