3-[2-[(5-bromanyl-6-propoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-[(5-bromanyl-6-propoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]naphthalene-2-carboxylic acid Openeye Name: 3-[2-[(5-bromo-6-propoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]naphthalene-2-carboxylic acid CAS Name: 3-[[2-[(5-bromo-6-propoxy-1,3-benzothiazol-2-yl)thio]-1-oxopropyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-[(5-bromo-6-propoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]naphthalene-2-carboxylic acid Traditional Name: 3-[2-[(5-bromo-6-propoxy-1,3-benzothiazol-2-yl)thio]propanoylamino]-2-naphthoic acid Formula: C24H21BrN2O4S2 MolecularWeight: 545.46854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)SC(=N2)SC(C)C(=O)NC3=CC4=CC=CC=C4C=C3C(=O)O)Br

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)SC(=N2)SC(C)C(=O)NC3=CC4=CC=CC=C4C=C3C(=O)O)Br

InChI

InChI=1S/C24H21BrN2O4S2/c1-3-8-31-20-12-21-19(11-17(20)25)27-24(33-21)32-13(2)22(28)26-18-10-15-7-5-4-6-14(15)9-16(18)23(29)30/h4-7,9-13H,3,8H2,1-2H3,(H,26,28)(H,29,30)