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

Systemtic Name: butyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-3-4-13-28-21(26)16-8-11-18-19(14-16)29-22(23-18)24-20(25)12-7-15-5-9-17(27-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,25)/b12-7+