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

Systemtic Name: butyl 2-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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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)OCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-4-6-13-31-23(28)17-9-10-18-21(15-17)32-24(25-18)26-22(27)12-8-16-7-11-19(30-5-2)20(14-16)29-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,26,27)/b12-8+