[(3-butan-2-ylphenyl)methyl-carboxy-amino]-carboxy-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfanidyl-azanium

Systemtic Name: [(3-butan-2-ylphenyl)methyl-carboxy-amino]-carboxy-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfanidyl-azanium Openeye Name: carboxy-[carboxy-[(3-sec-butylphenyl)methyl]amino]-[(2,2-dimethyl-3H-benzofuran-7-yl)methyl]-sulfido-ammonium CAS Name: [(3-butan-2-ylphenyl)methyl-carboxyamino]-carboxy-[(2,2-dimethyl-3H-benzofuran-7-yl)methyl]-sulfidoammonium IUPAC Name: [(3-butan-2-ylphenyl)methyl-carboxyamino]-carboxy-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-sulfidoazanium Traditional Name: carboxy-[carboxy-(3-sec-butylbenzyl)amino]-[(2,2-dimethylcoumaran-7-yl)methyl]-sulfido-ammonium Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC(=C1)CN(C(=O)O)[N+](CC2=CC=CC3=C2OC(C3)(C)C)(C(=O)O)[S-]

Isomeric SMILES

CCC(C)C1=CC=CC(=C1)CN(C(=O)O)[N+](CC2=CC=CC3=C2OC(C3)(C)C)(C(=O)O)[S-]

InChI

InChI=1S/C24H30N2O5S/c1-5-16(2)18-9-6-8-17(12-18)14-25(22(27)28)26(32,23(29)30)15-20-11-7-10-19-13-24(3,4)31-21(19)20/h6-12,16H,5,13-15H2,1-4H3,(H,27,28)(H,29,30)