4-[4-methoxy-2-[(5-methylthiophen-2-yl)carbonylamino]-1,3-benzothiazol-7-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-methoxy-2-[(5-methylthiophen-2-yl)carbonylamino]-1,3-benzothiazol-7-yl]piperazine-1-carboxylic acid Openeye Name: 4-[4-methoxy-2-[(5-methylthiophene-2-carbonyl)amino]-1,3-benzothiazol-7-yl]piperazine-1-carboxylic acid CAS Name: 4-[4-methoxy-2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-1,3-benzothiazol-7-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-methoxy-2-[(5-methylthiophene-2-carbonyl)amino]-1,3-benzothiazol-7-yl]piperazine-1-carboxylic acid Traditional Name: 4-[4-methoxy-2-[(5-methylthiophene-2-carbonyl)amino]-1,3-benzothiazol-7-yl]piperazine-1-carboxylic acid Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCN(CC4)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCN(CC4)C(=O)O)OC

InChI

InChI=1S/C19H20N4O4S2/c1-11-3-6-14(28-11)17(24)21-18-20-15-13(27-2)5-4-12(16(15)29-18)22-7-9-23(10-8-22)19(25)26/h3-6H,7-10H2,1-2H3,(H,25,26)(H,20,21,24)