tert-butyl N-[2-methyl-1-oxidanylidene-1-[[(3S)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[2-methyl-1-oxidanylidene-1-[[(3S)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[1,1-dimethyl-2-oxo-2-[[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]ethyl]carbamate CAS Name: N-[2-methyl-1-oxo-1-[[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methyl-1-oxo-1-[[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propan-2-yl]carbamate Traditional Name: N-[2-keto-2-[[(3S)-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]-1,1-dimethyl-ethyl]carbamic acid tert-butyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC1CSC2=CC=CC=C2NC1=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H]1CSC2=CC=CC=C2NC1=O

InChI

InChI=1S/C18H25N3O4S/c1-17(2,3)25-16(24)21-18(4,5)15(23)20-12-10-26-13-9-7-6-8-11(13)19-14(12)22/h6-9,12H,10H2,1-5H3,(H,19,22)(H,20,23)(H,21,24)/t12-/m1/s1