tert-butyl N-[(2S)-1-[(3-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(3-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3-chlorophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-[(3-chlorophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(3-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(3-chlorobenzyl)carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C17H25ClN2O3S MolecularWeight: 372.91

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C17H25ClN2O3S/c1-17(2,3)23-16(22)20-14(8-9-24-4)15(21)19-11-12-6-5-7-13(18)10-12/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,21)(H,20,22)/t14-/m0/s1