tert-butyl N-[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)OC(C)(C)C)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)OC(C)(C)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C29H31N3O5S/c1-18-12-13-22-23(15-18)32(17-24(33)20-10-7-6-9-19(20)2)26(34)21(30-28(36)37-29(3,4)5)16-31(22)27(35)25-11-8-14-38-25/h6-15,21H,16-17H2,1-5H3,(H,30,36)