ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-p-cumenylacryloyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H22N2O3S/c1-4-27-21(26)17-10-11-18-19(13-17)28-22(23-18)24-20(25)12-7-15-5-8-16(9-6-15)14(2)3/h5-14H,4H2,1-3H3,(H,23,24,25)/b12-7+