2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-[(E)-[2-oxidanylidene-4-(1,3-thiazol-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-[(E)-[2-oxidanylidene-4-(1,3-thiazol-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-[(E)-(2-oxo-4-thiazol-2-yl-indolin-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 2-methyl-4-[3-(4-methyl-1-piperazinyl)propyl]-5-[(E)-[2-oxo-4-(2-thiazolyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-[(E)-[2-oxo-4-(1,3-thiazol-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(E)-(2-keto-4-thiazol-2-yl-indolin-3-ylidene)methyl]-2-methyl-4-[3-(4-methylpiperazino)propyl]-1H-pyrrole-3-carboxylic acid Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=C2C3=C(C=CC=C3NC2=O)C4=NC=CS4)CCCN5CCN(CC5)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)/C=C/2\C3=C(C=CC=C3NC2=O)C4=NC=CS4)CCCN5CCN(CC5)C)C(=O)O

InChI

InChI=1S/C26H29N5O3S/c1-16-22(26(33)34)17(6-4-9-31-12-10-30(2)11-13-31)21(28-16)15-19-23-18(25-27-8-14-35-25)5-3-7-20(23)29-24(19)32/h3,5,7-8,14-15,28H,4,6,9-13H2,1-2H3,(H,29,32)(H,33,34)/b19-15+