1,3-benzothiazol-2-ylmethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19N3O2S2/c1-11(2)7-8-18-17-20-13(10-23-17)16(21)22-9-15-19-12-5-3-4-6-14(12)24-15/h3-6,10-11H,7-9H2,1-2H3,(H,18,20)