tert-butyl 2-[(2-azanyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-azanyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(2-amino-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(2-amino-1,3-benzothiazol-6-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-amino-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2-amino-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C17H22N4O3S/c1-17(2,3)24-16(23)21-8-4-5-12(21)14(22)19-10-6-7-11-13(9-10)25-15(18)20-11/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,20)(H,19,22)