2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)methyl]butanedioic acid

Systemtic Name: 2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)methyl]butanedioic acid Openeye Name: 2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)methyl]butanedioic acid CAS Name: 2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)methyl]butanedioic acid IUPAC Name: 2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)methyl]butanedioic acid Traditional Name: 2-[(6-carbomethoxy-1,3-benzothiazol-2-yl)methyl]succinic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)CC(CC(=O)O)C(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO6S/c1-21-14(20)7-2-3-9-10(4-7)22-11(15-9)5-8(13(18)19)6-12(16)17/h2-4,8H,5-6H2,1H3,(H,16,17)(H,18,19)