methyl 2-[methyl-[[4-[[7-(4-methylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]carbonylamino]phenyl]methyl]amino]ethanoate

Systemtic Name: methyl 2-[methyl-[[4-[[7-(4-methylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]carbonylamino]phenyl]methyl]amino]ethanoate Openeye Name: methyl 2-[[4-[[1,1-dioxo-7-(p-tolyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carbonyl]amino]phenyl]methyl-methyl-amino]acetate CAS Name: 2-[methyl-[[4-[[[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-oxomethyl]amino]phenyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methyl-[[4-[[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carbonyl]amino]phenyl]methyl]amino]acetate Traditional Name: 2-[[4-[[1,1-diketo-7-(p-tolyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carbonyl]amino]benzyl]-methyl-amino]acetic acid methyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)CC(=O)OC

InChI

InChI=1S/C29H30N2O5S/c1-20-4-8-22(9-5-20)23-10-13-27-25(16-23)17-24(14-15-37(27,34)35)29(33)30-26-11-6-21(7-12-26)18-31(2)19-28(32)36-3/h4-13,16-17H,14-15,18-19H2,1-3H3,(H,30,33)