2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-thienylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(2-thenyl)piperazino]acetic acid Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H28N4O3S/c1-15(2)22(28)25-16-5-6-20-18(12-16)19(13-24-20)21(23(29)30)27-9-7-26(8-10-27)14-17-4-3-11-31-17/h3-6,11-13,15,21,24H,7-10,14H2,1-2H3,(H,25,28)(H,29,30)