ethyl 2-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-keto-7-methyl-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC4=C(C=C3C)OCC(=O)N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC4=C(C=C3C)OCC(=O)N4

InChI

InChI=1S/C20H22N2O6S2/c1-3-27-20(24)18-12-6-4-5-7-15(12)29-19(18)22-30(25,26)16-9-13-14(8-11(16)2)28-10-17(23)21-13/h8-9,22H,3-7,10H2,1-2H3,(H,21,23)