ethyl 4-[2-[1-[2-(thiophen-2-ylcarbonylamino)ethyl]indol-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-[2-(thiophen-2-ylcarbonylamino)ethyl]indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-[2-(thiophene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-3-indolyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[2-(thiophene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-[2-(2-thenoylamino)ethyl]indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4

InChI

InChI=1S/C26H25N3O4S2/c1-2-33-26(32)18-9-11-19(12-10-18)28-24(30)17-35-23-16-29(21-7-4-3-6-20(21)23)14-13-27-25(31)22-8-5-15-34-22/h3-12,15-16H,2,13-14,17H2,1H3,(H,27,31)(H,28,30)