2-[[1-aminocarbonyl-4-oxidanylidene-5-(phenylmethyl)-1H-thiopyrano[4,3-b]indol-9-yl]oxy]ethanoic acid

Systemtic Name: 2-[[1-aminocarbonyl-4-oxidanylidene-5-(phenylmethyl)-1H-thiopyrano[4,3-b]indol-9-yl]oxy]ethanoic acid Openeye Name: 2-[(5-benzyl-1-carbamoyl-4-oxo-1H-thiopyrano[4,3-b]indol-9-yl)oxy]acetic acid CAS Name: 2-[[1-carbamoyl-4-oxo-5-(phenylmethyl)-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid IUPAC Name: 2-[(5-benzyl-1-carbamoyl-4-oxo-1H-thiopyrano[4,3-b]indol-9-yl)oxy]acetic acid Traditional Name: 2-[(5-benzyl-1-carbamoyl-4-keto-1H-thiopyran[4,3-b]indol-9-yl)oxy]acetic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(C(S1)C(=O)N)C3=C(N2CC4=CC=CC=C4)C=CC=C3OCC(=O)O

Isomeric SMILES

C1C(=O)C2=C(C(S1)C(=O)N)C3=C(N2CC4=CC=CC=C4)C=CC=C3OCC(=O)O

InChI

InChI=1S/C21H18N2O5S/c22-21(27)20-18-17-13(7-4-8-15(17)28-10-16(25)26)23(19(18)14(24)11-29-20)9-12-5-2-1-3-6-12/h1-8,20H,9-11H2,(H2,22,27)(H,25,26)