7-[[[azanyl-[(2,4-dimethoxyphenyl)amino]methylidene]amino]methyl]-2-(carboxycarbonylamino)-7,7a-dihydro-3aH-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 7-[[[azanyl-[(2,4-dimethoxyphenyl)amino]methylidene]amino]methyl]-2-(carboxycarbonylamino)-7,7a-dihydro-3aH-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 7-[[[amino-(2,4-dimethoxyanilino)methylene]amino]methyl]-2-(oxaloamino)-7,7a-dihydro-3aH-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 7-[[[amino-(2,4-dimethoxyanilino)methylidene]amino]methyl]-2-(oxaloamino)-7,7a-dihydro-3aH-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 7-[[[amino-(2,4-dimethoxyanilino)methylidene]amino]methyl]-2-(oxaloamino)-7,7a-dihydro-3aH-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 7-[[[amino-(2,4-dimethoxyanilino)methylene]amino]methyl]-2-(oxaloamino)-7,7a-dihydro-3aH-thieno[2,3-c]pyran-3-carboxylic acid Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=NCC2C3C(C=CO2)C(=C(S3)NC(=O)C(=O)O)C(=O)O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=NCC2C3C(C=CO2)C(=C(S3)NC(=O)C(=O)O)C(=O)O)N)OC

InChI

InChI=1S/C20H22N4O8S/c1-30-9-3-4-11(12(7-9)31-2)23-20(21)22-8-13-15-10(5-6-32-13)14(18(26)27)17(33-15)24-16(25)19(28)29/h3-7,10,13,15H,8H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)(H3,21,22,23)