2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]ethyl 3-methylbenzoate

Systemtic Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]ethyl 3-methylbenzoate Openeye Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCNC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCNC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-15-7-6-8-17(13-15)23(28)29-12-11-24-21(27)20-14-19-16(2)25-26(22(19)30-20)18-9-4-3-5-10-18/h3-10,13-14H,11-12H2,1-2H3,(H,24,27)