[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C27H23N3O4S2 MolecularWeight: 517.61922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H23N3O4S2/c1-3-21(24(31)30-27-29-20-14-13-16(33-4-2)15-23(20)36-27)34-26(32)18-10-6-5-9-17(18)25-28-19-11-7-8-12-22(19)35-25/h5-15,21H,3-4H2,1-2H3,(H,29,30,31)