ethyl 2-[2-[1-[2-(naphthalen-2-ylcarbonylamino)ethyl]indol-3-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-[2-(naphthalen-2-ylcarbonylamino)ethyl]indol-3-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[1-[2-[[2-naphthalenyl(oxo)methyl]amino]ethyl]-3-indolyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[1-[2-(2-naphthoylamino)ethyl]indol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C34H33N3O4S2 MolecularWeight: 611.77352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C34H33N3O4S2/c1-2-41-34(40)31-26-12-6-8-14-28(26)43-33(31)36-30(38)21-42-29-20-37(27-13-7-5-11-25(27)29)18-17-35-32(39)24-16-15-22-9-3-4-10-23(22)19-24/h3-5,7,9-11,13,15-16,19-20H,2,6,8,12,14,17-18,21H2,1H3,(H,35,39)(H,36,38)