2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropanecarboxylic acid CAS Name: 2-[[[6-[(2,6-dimethylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropanecarboxylic acid Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4C(=O)O

InChI

InChI=1S/C21H19N3O4S/c1-10-4-3-5-11(2)17(10)23-18(25)12-6-7-15-16(8-12)29-21(22-15)24-19(26)13-9-14(13)20(27)28/h3-8,13-14H,9H2,1-2H3,(H,23,25)(H,27,28)(H,22,24,26)