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

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-oxo-3-(2-thiazolylamino)prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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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)NC3=NC=CS3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=NC=CS3)OC

InChI

InChI=1S/C20H18N2O5S2/c1-14-3-7-16(8-4-14)29(24,25)27-17-9-5-15(13-18(17)26-2)6-10-19(23)22-20-21-11-12-28-20/h3-13H,1-2H3,(H,21,22,23)/b10-6+