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

Systemtic Name: methyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S/c1-13(2)15-7-4-14(5-8-15)6-11-19(24)23-21-22-17-10-9-16(20(25)26-3)12-18(17)27-21/h4-13H,1-3H3,(H,22,23,24)/b11-6+