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

Systemtic Name: tert-butyl N-(7-methyl-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-[7-methyl-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[7-methyl-4-oxo-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-methyl-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-7-methyl-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-12-7-8-15-13(10-12)21-17(24)14(22-19(26)27-20(2,3)4)11-23(15)18(25)16-6-5-9-28-16/h5-10,14H,11H2,1-4H3,(H,21,24)(H,22,26)