butyl 4-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: butyl 4-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]benzoic acid butyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O3S/c1-2-3-14-26-21(25)15-8-10-16(11-9-15)22-19(24)12-13-20-23-17-6-4-5-7-18(17)27-20/h4-13H,2-3,14H2,1H3,(H,22,24)/b13-12+