[4-[(2E)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate

Systemtic Name: [4-[(2E)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Openeye Name: [4-[(2E)-3-allyl-2-[(5-chloro-2-thienyl)sulfonylimino]thiazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[(2E)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-prop-2-enyl-4-thiazolyl]phenyl] ester IUPAC Name: [4-[(2E)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2E)-3-allyl-2-[(5-chloro-2-thienyl)sulfonylimino]-4-thiazolin-4-yl]phenyl] ester Formula: C23H17ClN2O4S3 MolecularWeight: 517.04008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CSC1=NS(=O)(=O)C2=CC=C(S2)Cl)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN\1C(=CS/C1=N/S(=O)(=O)C2=CC=C(S2)Cl)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17ClN2O4S3/c1-2-14-26-19(15-31-23(26)25-33(28,29)21-13-12-20(24)32-21)16-8-10-18(11-9-16)30-22(27)17-6-4-3-5-7-17/h2-13,15H,1,14H2/b25-23+