tert-butyl 3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]-3H-indole-2-carboxylate

Systemtic Name: tert-butyl 3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]-3H-indole-2-carboxylate Openeye Name: tert-butyl 3-[(2-acetamidothiazol-5-yl)sulfonylamino]-3H-indole-2-carboxylate CAS Name: 3-[(2-acetamido-5-thiazolyl)sulfonylamino]-3H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]-3H-indole-2-carboxylate Traditional Name: 3-[(2-acetamidothiazol-5-yl)sulfonylamino]-3H-indole-2-carboxylic acid tert-butyl ester Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(S1)S(=O)(=O)NC2C3=CC=CC=C3N=C2C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC=C(S1)S(=O)(=O)NC2C3=CC=CC=C3N=C2C(=O)OC(C)(C)C

InChI

InChI=1S/C18H20N4O5S2/c1-10(23)20-17-19-9-13(28-17)29(25,26)22-14-11-7-5-6-8-12(11)21-15(14)16(24)27-18(2,3)4/h5-9,14,22H,1-4H3,(H,19,20,23)