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

Systemtic Name: ethyl 1-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C)C

InChI

InChI=1S/C23H21N5O4S/c1-4-32-22(31)18-12-24-28(13(18)2)17-8-5-15(6-9-17)21(30)27-23-26-19-10-7-16(25-14(3)29)11-20(19)33-23/h5-12H,4H2,1-3H3,(H,25,29)(H,26,27,30)