butyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-chlorophenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3S/c1-2-3-12-27-20(26)15-7-10-17-18(13-15)28-21(23-17)24-19(25)11-6-14-4-8-16(22)9-5-14/h4-11,13H,2-3,12H2,1H3,(H,23,24,25)/b11-6+