methyl 1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]indole-3-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N3O3S/c1-28-22(27)19-15-25(20-8-3-2-7-18(19)20)16-21(26)24-10-5-9-23(11-12-24)14-17-6-4-13-29-17/h2-4,6-8,13,15H,5,9-12,14,16H2,1H3