ethyl 5-azanyl-1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OCC)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OCC)N

InChI

InChI=1S/C22H21N5O4S/c1-3-30-15-9-10-17-18(11-15)32-22(25-17)26-20(28)13-5-7-14(8-6-13)27-19(23)16(12-24-27)21(29)31-4-2/h5-12H,3-4,23H2,1-2H3,(H,25,26,28)