tert-butyl N-[1-[(2-ethanoylthiophen-3-yl)methyl]-2-oxidanylidene-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(2-ethanoylthiophen-3-yl)methyl]-2-oxidanylidene-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-acetyl-3-thienyl)methyl]-5-isopropyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[(2-acetyl-3-thiophenyl)methyl]-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(2-acetylthiophen-3-yl)methyl]-2-oxo-5-propan-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[(2-acetyl-3-thienyl)methyl]-5-isopropyl-2-keto-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(C(=O)N(C2=CC=CC=C21)CC3=C(SC=C3)C(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=NC(C(=O)N(C2=CC=CC=C21)CC3=C(SC=C3)C(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H29N3O4S/c1-14(2)19-17-9-7-8-10-18(17)27(13-16-11-12-32-20(16)15(3)28)22(29)21(25-19)26-23(30)31-24(4,5)6/h7-12,14,21H,13H2,1-6H3,(H,26,30)