methyl 4-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoate hydrochloride

Systemtic Name: methyl 4-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoate hydrochloride Openeye Name: methyl 4-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoate hydrochloride CAS Name: 4-[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoate hydrochloride Traditional Name: 4-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester hydrochloride Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)N.Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)N.Cl

InChI

InChI=1S/C17H17N3O2S.ClH/c1-10-8-14(15-9-23-17(18)19-15)11(2)20(10)13-6-4-12(5-7-13)16(21)22-3;/h4-9H,1-3H3,(H2,18,19);1H