8-(1-benzothiophen-2-ylcarbonylamino)-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-(1-benzothiophen-2-ylcarbonylamino)-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-(benzothiophene-2-carbonylamino)-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[[1-benzothiophen-2-yl(oxo)methyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-(1-benzothiophene-2-carbonylamino)-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-(benzothiophene-2-carbonylamino)-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C22H20N2O6S/c25-19(26)9-4-10-24-12-16(22(28)29)30-20-14(6-3-7-15(20)24)23-21(27)18-11-13-5-1-2-8-17(13)31-18/h1-3,5-8,11,16H,4,9-10,12H2,(H,23,27)(H,25,26)(H,28,29)