1-(phenylmethyl)-6-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methoxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-6-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methoxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-benzyl-6-[[(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]methoxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-(phenylmethyl)-6-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methoxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-benzyl-6-[[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methoxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-benzyl-6-[[(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]methoxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)OCNC3=CC4=C(C=C3)NC(=S)S4)N(C1C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C=CC(=C2)OCNC3=CC4=C(C=C3)NC(=S)S4)N(C1C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S2/c29-24(30)22-10-6-17-12-19(8-11-21(17)28(22)14-16-4-2-1-3-5-16)31-15-26-18-7-9-20-23(13-18)33-25(32)27-20/h1-5,7-9,11-13,22,26H,6,10,14-15H2,(H,27,32)(H,29,30)