2,4-bis(ethoxycarbonyl)-3-methyl-5-(2-sulfonatosulfanylethanoylamino)thiophene

Systemtic Name: 2,4-bis(ethoxycarbonyl)-3-methyl-5-(2-sulfonatosulfanylethanoylamino)thiophene Openeye Name: 2,4-bis(ethoxycarbonyl)-3-methyl-5-[(2-sulfonatosulfanylacetyl)amino]thiophene CAS Name: 2,4-bis(ethoxycarbonyl)-3-methyl-5-[[1-oxo-2-(sulfonatothio)ethyl]amino]thiophene IUPAC Name: 2,4-bis(ethoxycarbonyl)-3-methyl-5-[(2-sulfonatosulfanylacetyl)amino]thiophene Traditional Name: 2,4-dicarbethoxy-3-methyl-5-[[2-(sulfonatothio)acetyl]amino]thiophene Formula: C13H16NO8S3- MolecularWeight: 410.46304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSS(=O)(=O)[O-]

InChI

InChI=1S/C13H17NO8S3/c1-4-21-12(16)9-7(3)10(13(17)22-5-2)24-11(9)14-8(15)6-23-25(18,19)20/h4-6H2,1-3H3,(H,14,15)(H,18,19,20)/p-1