3-ethoxycarbonyl-2-[[(2S)-2-sulfosulfanyloxybutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene

Systemtic Name: 3-ethoxycarbonyl-2-[[(2S)-2-sulfosulfanyloxybutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene Openeye Name: 3-ethoxycarbonyl-2-[[(2S)-2-sulfosulfanyloxybutanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene CAS Name: 3-ethoxycarbonyl-2-[[(2S)-1-oxo-2-(sulfothio)oxybutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene IUPAC Name: 3-ethoxycarbonyl-2-[[(2S)-2-sulfosulfanyloxybutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene Traditional Name: 3-carbethoxy-2-[[(2S)-2-(sulfothio)oxybutanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene Formula: C15H21NO7S3 MolecularWeight: 423.52474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OSS(=O)(=O)O

Isomeric SMILES

CC[C@@H](C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OSS(=O)(=O)O

InChI

InChI=1S/C15H21NO7S3/c1-3-10(23-25-26(19,20)21)13(17)16-14-12(15(18)22-4-2)9-7-5-6-8-11(9)24-14/h10H,3-8H2,1-2H3,(H,16,17)(H,19,20,21)/t10-/m0/s1