[(E)-[3-oxidanylidene-4-(phenylmethyl)thiomorpholin-2-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[3-oxidanylidene-4-(phenylmethyl)thiomorpholin-2-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(4-benzyl-3-oxo-thiomorpholin-2-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[3-oxo-4-(phenylmethyl)-2-thiomorpholinylidene]amino] ester IUPAC Name: [(E)-(4-benzyl-3-oxothiomorpholin-2-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(4-benzyl-3-keto-thiomorpholin-2-ylidene)amino] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C(=O)N(CCS2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\C(=O)N(CCS2)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S2/c1-14-7-9-16(10-8-14)26(22,23)24-19-17-18(21)20(11-12-25-17)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3/b19-17+