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

Systemtic Name: carboxy-[carboxy(2,3-dihydro-1H-inden-4-ylmethyl)amino]-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfanidyl-azanium Openeye Name: carboxy-[carboxy(indan-4-ylmethyl)amino]-[(2,2-dimethyl-3H-benzofuran-7-yl)methyl]-sulfido-ammonium CAS Name: carboxy-[carboxy(2,3-dihydro-1H-inden-4-ylmethyl)amino]-[(2,2-dimethyl-3H-benzofuran-7-yl)methyl]-sulfidoammonium IUPAC Name: carboxy-[carboxy(2,3-dihydro-1H-inden-4-ylmethyl)amino]-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfidoazanium Traditional Name: carboxy-[carboxy(indan-4-ylmethyl)amino]-[(2,2-dimethylcoumaran-7-yl)methyl]-sulfido-ammonium Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)C[N+](C(=O)O)(N(CC3=CC=CC4=C3CCC4)C(=O)O)[S-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)C[N+](C(=O)O)(N(CC3=CC=CC4=C3CCC4)C(=O)O)[S-])C

InChI

InChI=1S/C23H26N2O5S/c1-23(2)12-16-8-4-10-18(20(16)30-23)14-25(31,22(28)29)24(21(26)27)13-17-9-3-6-15-7-5-11-19(15)17/h3-4,6,8-10H,5,7,11-14H2,1-2H3,(H,26,27)(H,28,29)