2-[[4-[(phenylmethyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[4-[(phenylmethyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[4-(benzylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[4-[(phenylmethyl)amino]-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[4-(benzylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[4-(benzylamino)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C(=CC=C2)SC(=N3)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C(=CC=C2)SC(=N3)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O4S2/c21-15(22)9-14(17(23)24)26-18-20-16-12(7-4-8-13(16)25-18)19-10-11-5-2-1-3-6-11/h1-8,14,19H,9-10H2,(H,21,22)(H,23,24)