2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylamino)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenylpropanoic acid Traditional Name: 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenyl-propionic acid Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C3=C(C=CC(=C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)O)SC2=N1

Isomeric SMILES

C1CN2C3=C(C=CC(=C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)O)SC2=N1

InChI

InChI=1S/C19H18N4O3S/c24-17(25)14(10-12-4-2-1-3-5-12)22-18(26)21-13-6-7-16-15(11-13)23-9-8-20-19(23)27-16/h1-7,11,14H,8-10H2,(H,24,25)(H2,21,22,26)