ethyl 2-[(3-azanyl-2-chloranyl-3-oxidanylidene-propyl)amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(3-azanyl-2-chloranyl-3-oxidanylidene-propyl)amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[(3-amino-2-chloro-3-oxo-propyl)amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[(3-amino-2-chloro-3-oxopropyl)amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-amino-2-chloro-3-oxopropyl)amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[(3-amino-2-chloro-3-keto-propyl)amino]-3-(benzylthio)propionic acid ethyl ester Formula: C15H21ClN2O3S MolecularWeight: 344.85684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NCC(C(=O)N)Cl

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NCC(C(=O)N)Cl

InChI

InChI=1S/C15H21ClN2O3S/c1-2-21-15(20)13(18-8-12(16)14(17)19)10-22-9-11-6-4-3-5-7-11/h3-7,12-13,18H,2,8-10H2,1H3,(H2,17,19)