methyl 5-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-8-14(16(22)23-3)9(2)19-15(8)12(21)7-25-17-20-11-5-4-10(18)6-13(11)24-17/h4-6,19H,7H2,1-3H3