2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]carbamoyl]benzoic acid Formula: C20H14N2O3S2 MolecularWeight: 394.46676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H14N2O3S2/c1-11-10-26-18(16(11)19-21-14-8-4-5-9-15(14)27-19)22-17(23)12-6-2-3-7-13(12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)