4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carbonitrile Openeye Name: 2-(allylamino)-4-amino-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(3,4-dimethoxyphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(3,4-dimethoxybenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile Traditional Name: 2-(allylamino)-4-amino-5-veratroyl-thiophene-3-carbonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C#N)N)OC

InChI

InChI=1S/C17H17N3O3S/c1-4-7-20-17-11(9-18)14(19)16(24-17)15(21)10-5-6-12(22-2)13(8-10)23-3/h4-6,8,20H,1,7,19H2,2-3H3