methyl 3-[[2-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]benzothiophene-2-carboxylate CAS Name: 3-[[2-[2-(6-carbamimidoyl-1-methyl-2-indolyl)ethyl]-2-pyrrolidinyl]methyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(6-carbamimidoyl-1-methylindol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-[2-(6-amidino-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]benzothiophene-2-carboxylic acid methyl ester Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)CC4=C(SC5=CC=CC=C54)C(=O)OC

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)CC4=C(SC5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C27H30N4O2S/c1-31-19(14-17-8-9-18(25(28)29)15-22(17)31)10-12-27(11-5-13-30-27)16-21-20-6-3-4-7-23(20)34-24(21)26(32)33-2/h3-4,6-9,14-15,30H,5,10-13,16H2,1-2H3,(H3,28,29)