methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate CAS Name: 4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[2-(1-pyrazolyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate Traditional Name: 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoic acid methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C23H22N4O3S/c1-15-13-16(2)20-19(14-15)31-23(25-20)27(12-11-26-10-4-9-24-26)21(28)17-5-7-18(8-6-17)22(29)30-3/h4-10,13-14H,11-12H2,1-3H3