ethyl 3-methylsulfanyl-2-oxidanylidene-1,3-bis(prop-2-ynyl)indole-4-carboxylate

Systemtic Name: ethyl 3-methylsulfanyl-2-oxidanylidene-1,3-bis(prop-2-ynyl)indole-4-carboxylate Openeye Name: ethyl 3-methylsulfanyl-2-oxo-1,3-bis(prop-2-ynyl)indoline-4-carboxylate CAS Name: 3-(methylthio)-2-oxo-1,3-bis(prop-2-ynyl)-4-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-2-oxo-1,3-bis(prop-2-ynyl)indole-4-carboxylate Traditional Name: 2-keto-3-(methylthio)-1,3-dipropargyl-indoline-4-carboxylic acid ethyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N(C(=O)C2(CC#C)SC)CC#C

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N(C(=O)C2(CC#C)SC)CC#C

InChI

InChI=1S/C18H17NO3S/c1-5-11-18(23-4)15-13(16(20)22-7-3)9-8-10-14(15)19(12-6-2)17(18)21/h1-2,8-10H,7,11-12H2,3-4H3