butyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-2-3-13-26-20(25)16-10-11-17-18(14-16)27-21(22-17)23-19(24)12-9-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H,22,23,24)/b12-9+