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

Systemtic Name: butyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-2-3-11-29-20(26)15-8-9-17-18(13-15)30-21(22-17)23-19(25)10-7-14-5-4-6-16(12-14)24(27)28/h4-10,12-13H,2-3,11H2,1H3,(H,22,23,25)/b10-7+