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

Systemtic Name: [2-methoxy-4-[(E)-3-[(3-methyl-1,3-thiazol-2-ylidene)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-[(3-methylthiazol-2-ylidene)amino]-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-[(3-methyl-2-thiazolylidene)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-[(3-methyl-1,3-thiazol-2-ylidene)amino]-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-[(3-methyl-4-thiazolin-2-ylidene)amino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)N=C3N(C=CS3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)N=C3N(C=CS3)C)OC

InChI

InChI=1S/C21H20N2O5S2/c1-15-4-8-17(9-5-15)30(25,26)28-18-10-6-16(14-19(18)27-3)7-11-20(24)22-21-23(2)12-13-29-21/h4-14H,1-3H3/b11-7+,22-21?