ethyl 3-(2-azanylethanoylamino)-4,9-bis(oxidanylidene)-2H-benzo[f][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 3-(2-azanylethanoylamino)-4,9-bis(oxidanylidene)-2H-benzo[f][1]benzothiole-3-carboxylate Openeye Name: ethyl 3-[(2-aminoacetyl)amino]-4,9-dioxo-2H-benzo[f]benzothiophene-3-carboxylate CAS Name: 3-[(2-amino-1-oxoethyl)amino]-4,9-dioxo-2H-benzo[f][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-aminoacetyl)amino]-4,9-dioxo-2H-benzo[f][1]benzothiole-3-carboxylate Traditional Name: 3-(glycylamino)-4,9-diketo-2H-benzo[f]benzothiophene-3-carboxylic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CSC2=C1C(=O)C3=CC=CC=C3C2=O)NC(=O)CN

Isomeric SMILES

CCOC(=O)C1(CSC2=C1C(=O)C3=CC=CC=C3C2=O)NC(=O)CN

InChI

InChI=1S/C17H16N2O5S/c1-2-24-16(23)17(19-11(20)7-18)8-25-15-12(17)13(21)9-5-3-4-6-10(9)14(15)22/h3-6H,2,7-8,18H2,1H3,(H,19,20)