ethyl 5-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C18H17ClN2O3S2/c1-4-24-17(23)15-9(2)16(20-10(15)3)13(22)8-25-18-21-12-7-11(19)5-6-14(12)26-18/h5-7,20H,4,8H2,1-3H3