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

Systemtic Name: tert-butyl N-[7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[7-methyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-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-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-5-[2-keto-2-(2-thienyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CS3)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=CS3)NC(=O)OC(C)(C)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N3O5S2/c1-16-9-10-18-19(13-16)29(15-20(30)21-7-5-11-35-21)23(31)17(27-25(33)34-26(2,3)4)14-28(18)24(32)22-8-6-12-36-22/h5-13,17H,14-15H2,1-4H3,(H,27,33)