butyl 2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(5-phenyl-2-furyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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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(O3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-2-3-15-30-24(29)18-9-12-20-22(16-18)32-25(26-20)27-23(28)14-11-19-10-13-21(31-19)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,26,27,28)/b14-11+