[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C28H30N2O4S/c1-2-33-21-8-9-22-23(11-21)35-26(29-22)30-24(31)16-34-25(32)28-14-18-10-19(15-28)13-27(12-18,17-28)20-6-4-3-5-7-20/h3-9,11,18-19H,2,10,12-17H2,1H3,(H,29,30,31)