methyl 2-[(4-ethanoyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-ethanoyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O5S3 MolecularWeight: 466.59408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCSC2=C1C=C(C=C2)S(=O)(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC(=O)N1CCSC2=C1C=C(C=C2)S(=O)(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C20H22N2O5S3/c1-12(23)22-9-10-28-17-8-7-13(11-15(17)22)30(25,26)21-19-18(20(24)27-2)14-5-3-4-6-16(14)29-19/h7-8,11,21H,3-6,9-10H2,1-2H3