1-(3-phenylazanylphenyl)prop-2-ynyl 2,2-dimethyl-3-[(Z)-(2-oxidanylidenethiophen-3-ylidene)methyl]cyclopropane-1-carboxylate

Systemtic Name: 1-(3-phenylazanylphenyl)prop-2-ynyl 2,2-dimethyl-3-[(Z)-(2-oxidanylidenethiophen-3-ylidene)methyl]cyclopropane-1-carboxylate Openeye Name: 1-(3-anilinophenyl)prop-2-ynyl 2,2-dimethyl-3-[(Z)-(2-oxo-3-thienylidene)methyl]cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-[(Z)-(2-oxo-3-thiophenylidene)methyl]-1-cyclopropanecarboxylic acid 1-(3-anilinophenyl)prop-2-ynyl ester IUPAC Name: 1-(3-anilinophenyl)prop-2-ynyl 2,2-dimethyl-3-[(Z)-(2-oxothiophen-3-ylidene)methyl]cyclopropane-1-carboxylate Traditional Name: 3-[(Z)-(2-keto-3-thienylidene)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid 1-(3-anilinophenyl)prop-2-ynyl ester Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OC(C#C)C2=CC(=CC=C2)NC3=CC=CC=C3)C=C4C=CSC4=O)C

Isomeric SMILES

CC1(C(C1C(=O)OC(C#C)C2=CC(=CC=C2)NC3=CC=CC=C3)/C=C\4/C=CSC4=O)C

InChI

InChI=1S/C26H23NO3S/c1-4-22(17-9-8-12-20(15-17)27-19-10-6-5-7-11-19)30-24(28)23-21(26(23,2)3)16-18-13-14-31-25(18)29/h1,5-16,21-23,27H,2-3H3/b18-16-