(2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid (2-anilinothiazol-4-yl)methyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C21H15N3O4S/c22-10-15(8-14-6-7-18-19(9-14)28-13-27-18)20(25)26-11-17-12-29-21(24-17)23-16-4-2-1-3-5-16/h1-9,12H,11,13H2,(H,23,24)