diethyl 5-azanyl-3-(naphthalen-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-(naphthalen-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-(2-naphthylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(2-naphthalenylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-(naphthalen-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-naphthylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=CC3=CC=CC=C3C=C2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=CC3=CC=CC=C3C=C2)C(=O)OCC)N

InChI

InChI=1S/C21H21NO4S2/c1-3-25-20(23)17-16(18(28-19(17)22)21(24)26-4-2)12-27-15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,3-4,12,22H2,1-2H3