ethyl (3S,6Z,9R)-3-benzamido-9-methyl-2-oxidanylidene-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate

Systemtic Name: ethyl (3S,6Z,9R)-3-benzamido-9-methyl-2-oxidanylidene-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate Openeye Name: ethyl (3S,6Z,9R)-3-benzamido-9-methyl-2-oxo-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate CAS Name: (3S,6Z,9R)-3-benzamido-9-methyl-2-oxo-3,4,8,9-tetrahydro-1,5-oxathionin-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,6Z,9R)-3-benzamido-9-methyl-2-oxo-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate Traditional Name: (3S,6Z,9R)-3-benzamido-2-keto-9-methyl-3,4,8,9-tetrahydro-1,5-oxathionin-6-carboxylic acid ethyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(OC(=O)C(CS1)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)/C/1=C/C[C@H](OC(=O)[C@@H](CS1)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO5S/c1-3-23-18(22)15-10-9-12(2)24-17(21)14(11-25-15)19-16(20)13-7-5-4-6-8-13/h4-8,10,12,14H,3,9,11H2,1-2H3,(H,19,20)/b15-10-/t12-,14-/m1/s1