methyl 11-(2-benzamidoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(2-benzamidoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(2-benzamidoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(2-benzamidoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(2-benzamidoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(2-benzamidoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO4S/c1-29-25(28)18-11-12-22-21(15-18)23(20-10-6-5-9-19(20)16-30-22)31-14-13-26-24(27)17-7-3-2-4-8-17/h2-12,15,23H,13-14,16H2,1H3,(H,26,27)