carboxy-[carboxy-[(2-propan-2-yloxyphenyl)methyl]amino]-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-sulfanidyl-azanium

Systemtic Name: carboxy-[carboxy-[(2-propan-2-yloxyphenyl)methyl]amino]-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-sulfanidyl-azanium Openeye Name: carboxy-[carboxy-[(2-isopropoxyphenyl)methyl]amino]-[(2-methyl-2,3-dihydrobenzofuran-7-yl)methyl]-sulfido-ammonium CAS Name: carboxy-[carboxy-[(2-propan-2-yloxyphenyl)methyl]amino]-[(2-methyl-2,3-dihydrobenzofuran-7-yl)methyl]-sulfidoammonium IUPAC Name: carboxy-[carboxy-[(2-propan-2-yloxyphenyl)methyl]amino]-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-sulfidoazanium Traditional Name: carboxy-[carboxy-(2-isopropoxybenzyl)amino]-[(2-methylcoumaran-7-yl)methyl]-sulfido-ammonium Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC=C2)C[N+](C(=O)O)(N(CC3=CC=CC=C3OC(C)C)C(=O)O)[S-]

Isomeric SMILES

CC1CC2=C(O1)C(=CC=C2)C[N+](C(=O)O)(N(CC3=CC=CC=C3OC(C)C)C(=O)O)[S-]

InChI

InChI=1S/C22H26N2O6S/c1-14(2)29-19-10-5-4-7-17(19)12-23(21(25)26)24(31,22(27)28)13-18-9-6-8-16-11-15(3)30-20(16)18/h4-10,14-15H,11-13H2,1-3H3,(H,25,26)(H,27,28)