methyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonyl-benzoate

Systemtic Name: methyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonyl-benzoate Openeye Name: methyl 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonyl-benzoate CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonylbenzoate Traditional Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-esyl-benzoic acid methyl ester Formula: C19H18ClNO6S3 MolecularWeight: 487.99732

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C19H18ClNO6S3/c1-4-29(23,24)17-9-12(18(22)27-3)5-7-15(17)21-30(25,26)19-11(2)14-10-13(20)6-8-16(14)28-19/h5-10,21H,4H2,1-3H3