1,3-benzothiazol-2-amine; ethane; ethanedioate; 3-methyl-2,3-dihydro-1,4-benzodioxine; piperidine

Systemtic Name: 1,3-benzothiazol-2-amine; ethane; ethanedioate; 3-methyl-2,3-dihydro-1,4-benzodioxine; piperidine Openeye Name: 1,3-benzothiazol-2-amine; ethane; 3-methyl-2,3-dihydro-1,4-benzodioxine; oxalate; piperidine CAS Name: 1,3-benzothiazol-2-amine; ethane; 3-methyl-2,3-dihydro-1,4-benzodioxin; oxalate; piperidine IUPAC Name: 1,3-benzothiazol-2-amine; ethane; 3-methyl-2,3-dihydro-1,4-benzodioxine; oxalate; piperidine Traditional Name: 1,3-benzothiazol-2-ylamine; ethane; 3-methyl-2,3-dihydro-1,4-benzodioxin; oxalate; piperidine Formula: C25H33N3O6S-2 MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC1COC2=CC=CC=C2O1.C1CCNCC1.C1=CC=C2C(=C1)N=C(S2)N.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC.CC1COC2=CC=CC=C2O1.C1CCNCC1.C1=CC=C2C(=C1)N=C(S2)N.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C9H10O2.C7H6N2S.C5H11N.C2H2O4.C2H6/c1-7-6-10-8-4-2-3-5-9(8)11-7;8-7-9-5-3-1-2-4-6(5)10-7;1-2-4-6-5-3-1;3-1(4)2(5)6;1-2/h2-5,7H,6H2,1H3;1-4H,(H2,8,9);6H,1-5H2;(H,3,4)(H,5,6);1-2H3/p-2