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

Systemtic Name: methyl 4-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate CAS Name: 4-[[(4-chloro-1,3-benzothiazol-2-yl)-[2-(1-pyrazolyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate Traditional Name: 4-[(4-chloro-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoic acid methyl ester Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C21H17ClN4O3S/c1-29-20(28)15-8-6-14(7-9-15)19(27)26(13-12-25-11-3-10-23-25)21-24-18-16(22)4-2-5-17(18)30-21/h2-11H,12-13H2,1H3