methyl 4-[(E)-2-cyano-3-oxidanylidene-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-oxidanylidene-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-oxo-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/C#N

InChI

InChI=1S/C22H19N3O3S2/c1-13(2)25(17-8-9-18-19(11-17)30-22(29)24-18)20(26)16(12-23)10-14-4-6-15(7-5-14)21(27)28-3/h4-11,13H,1-3H3,(H,24,29)/b16-10+