sulfanyl 3-[(2-methoxy-2-oxidanylidene-ethyl)amino]-4-methyl-2-(phenylmethyl)benzoate

Systemtic Name: sulfanyl 3-[(2-methoxy-2-oxidanylidene-ethyl)amino]-4-methyl-2-(phenylmethyl)benzoate Openeye Name: sulfanyl 2-benzyl-3-[(2-methoxy-2-oxo-ethyl)amino]-4-methyl-benzoate CAS Name: 3-[(2-methoxy-2-oxoethyl)amino]-4-methyl-2-(phenylmethyl)benzoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-3-[(2-methoxy-2-oxoethyl)amino]-4-methylbenzoate Traditional Name: 2-benzyl-3-[(2-keto-2-methoxy-ethyl)amino]-4-methyl-benzoic acid mercapto ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)OS)CC2=CC=CC=C2)NCC(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)OS)CC2=CC=CC=C2)NCC(=O)OC

InChI

InChI=1S/C18H19NO4S/c1-12-8-9-14(18(21)23-24)15(10-13-6-4-3-5-7-13)17(12)19-11-16(20)22-2/h3-9,19,24H,10-11H2,1-2H3