dimethyl (E)-2-[(4-oxidanylidenethiochromen-3-yl)amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[(4-oxidanylidenethiochromen-3-yl)amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[(4-oxothiochromen-3-yl)amino]but-2-enedioate CAS Name: (E)-2-[(4-oxo-1-benzothiopyran-3-yl)amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[(4-oxothiochromen-3-yl)amino]but-2-enedioate Traditional Name: (E)-2-[(4-ketothiochromen-3-yl)amino]but-2-enedioic acid dimethyl ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)NC1=CSC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/NC1=CSC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H13NO5S/c1-20-13(17)7-10(15(19)21-2)16-11-8-22-12-6-4-3-5-9(12)14(11)18/h3-8,16H,1-2H3/b10-7+