methyl 4-methylsulfanyl-2-[2-(4-oxidanylidene-5-propyl-pyridazino[4,5-b]indol-3-yl)ethanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(4-oxidanylidene-5-propyl-pyridazino[4,5-b]indol-3-yl)ethanoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(4-oxo-5-propyl-pyridazino[4,5-b]indol-3-yl)acetyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-5-propyl-3-pyridazino[4,5-b]indolyl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetyl]amino]butanoate Traditional Name: 2-[[2-(4-keto-5-propyl-pyridazin[4,5-b]indol-3-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C21H26N4O4S/c1-4-10-24-17-8-6-5-7-14(17)15-12-22-25(20(27)19(15)24)13-18(26)23-16(9-11-30-3)21(28)29-2/h5-8,12,16H,4,9-11,13H2,1-3H3,(H,23,26)