5-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]benzothiophene-2-carboxylic acid CAS Name: 5-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]benzothiophene-2-carboxylic acid Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)O

InChI

InChI=1S/C18H13N3O3S2/c22-16(9-19-18-21-12-3-1-2-4-14(12)26-18)20-11-5-6-13-10(7-11)8-15(25-13)17(23)24/h1-8H,9H2,(H,19,21)(H,20,22)(H,23,24)