[4-[(E)-3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-(thiochroman-4-ylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(thiochroman-4-ylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H25NO5S2 MolecularWeight: 495.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3CCSC4=CC=CC=C34)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3CCSC4=CC=CC=C34)OC

InChI

InChI=1S/C26H25NO5S2/c1-18-7-11-20(12-8-18)34(29,30)32-23-13-9-19(17-24(23)31-2)10-14-26(28)27-22-15-16-33-25-6-4-3-5-21(22)25/h3-14,17,22H,15-16H2,1-2H3,(H,27,28)/b14-10+