ethyl 6-methoxy-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-2H-isoindole-1-carboxylate

Systemtic Name: ethyl 6-methoxy-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-2H-isoindole-1-carboxylate Openeye Name: ethyl 3-(2-anilino-2-oxo-ethyl)sulfanyl-6-methoxy-2H-isoindole-1-carboxylate CAS Name: 3-[(2-anilino-2-oxoethyl)thio]-6-methoxy-2H-isoindole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-anilino-2-oxoethyl)sulfanyl-6-methoxy-2H-isoindole-1-carboxylate Traditional Name: 3-[(2-anilino-2-keto-ethyl)thio]-6-methoxy-2H-isoindole-1-carboxylic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CC2=C(N1)SCC(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CC2=C(N1)SCC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N2O4S/c1-3-26-20(24)18-16-11-14(25-2)9-10-15(16)19(22-18)27-12-17(23)21-13-7-5-4-6-8-13/h4-11,22H,3,12H2,1-2H3,(H,21,23)