ethyl 3-acetamido-6-[3-(diethylamino)propyliminomethyl]-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-acetamido-6-[3-(diethylamino)propyliminomethyl]-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-acetamido-6-[3-(diethylamino)propyliminomethyl]-7-phenylsulfanyl-4,5-dihydrobenzothiophene-2-carboxylate CAS Name: 3-acetamido-6-[3-(diethylamino)propyliminomethyl]-7-(phenylthio)-4,5-dihydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-6-[3-(diethylamino)propyliminomethyl]-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-6-[3-(diethylamino)propyliminomethyl]-7-(phenylthio)-4,5-dihydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C27H35N3O3S2 MolecularWeight: 513.7151

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN=CC1=C(C2=C(CC1)C(=C(S2)C(=O)OCC)NC(=O)C)SC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCN=CC1=C(C2=C(CC1)C(=C(S2)C(=O)OCC)NC(=O)C)SC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O3S2/c1-5-30(6-2)17-11-16-28-18-20-14-15-22-23(29-19(4)31)26(27(32)33-7-3)35-25(22)24(20)34-21-12-9-8-10-13-21/h8-10,12-13,18H,5-7,11,14-17H2,1-4H3,(H,29,31)