phenyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: phenyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: phenyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid phenyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S/c1-13-9-10-15-17(12-13)27-19(21-15)22-18(24)16-8-5-11-23(16)20(25)26-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,21,22,24)