ethyl N-[4-[[[(2R)-2-acetamido-3-methoxy-propanoyl]amino]methyl]phenyl]carbamodithioate

Systemtic Name: ethyl N-[4-[[[(2R)-2-acetamido-3-methoxy-propanoyl]amino]methyl]phenyl]carbamodithioate Openeye Name: ethyl N-[4-[[[(2R)-2-acetamido-3-methoxy-propanoyl]amino]methyl]phenyl]carbamodithioate CAS Name: N-[4-[[[(2R)-2-acetamido-3-methoxy-1-oxopropyl]amino]methyl]phenyl]carbamodithioic acid ethyl ester IUPAC Name: ethyl N-[4-[[[(2R)-2-acetamido-3-methoxypropanoyl]amino]methyl]phenyl]carbamodithioate Traditional Name: N-[4-[[[(2R)-2-acetamido-3-methoxy-propanoyl]amino]methyl]phenyl]carbamodithioic acid ethyl ester Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)NC1=CC=C(C=C1)CNC(=O)C(COC)NC(=O)C

Isomeric SMILES

CCSC(=S)NC1=CC=C(C=C1)CNC(=O)[C@@H](COC)NC(=O)C

InChI

InChI=1S/C16H23N3O3S2/c1-4-24-16(23)19-13-7-5-12(6-8-13)9-17-15(21)14(10-22-3)18-11(2)20/h5-8,14H,4,9-10H2,1-3H3,(H,17,21)(H,18,20)(H,19,23)/t14-/m1/s1