[1-benzothiophen-4-ylmethyl(carboxy)amino]-carboxy-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfanidyl-azanium

Systemtic Name: [1-benzothiophen-4-ylmethyl(carboxy)amino]-carboxy-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfanidyl-azanium Openeye Name: [benzothiophen-4-ylmethyl(carboxy)amino]-carboxy-[(2,2-dimethyl-3H-benzofuran-7-yl)methyl]-sulfido-ammonium CAS Name: [1-benzothiophen-4-ylmethyl(carboxy)amino]-carboxy-[(2,2-dimethyl-3H-benzofuran-7-yl)methyl]-sulfidoammonium IUPAC Name: [1-benzothiophen-4-ylmethyl(carboxy)amino]-carboxy-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfidoazanium Traditional Name: [benzothiophen-4-ylmethyl(carboxy)amino]-carboxy-[(2,2-dimethylcoumaran-7-yl)methyl]-sulfido-ammonium Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)C[N+](C(=O)O)(N(CC3=C4C=CSC4=CC=C3)C(=O)O)[S-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)C[N+](C(=O)O)(N(CC3=C4C=CSC4=CC=C3)C(=O)O)[S-])C

InChI

InChI=1S/C22H22N2O5S2/c1-22(2)11-14-5-3-7-16(19(14)29-22)13-24(30,21(27)28)23(20(25)26)12-15-6-4-8-18-17(15)9-10-31-18/h3-10H,11-13H2,1-2H3,(H,25,26)(H,27,28)