ethyl (E)-3-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]acrylic acid ethyl ester Formula: C20H16ClNO3S MolecularWeight: 385.86394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H16ClNO3S/c1-2-25-17(23)12-9-13-7-10-14(11-8-13)22-20(24)19-18(21)15-5-3-4-6-16(15)26-19/h3-12H,2H2,1H3,(H,22,24)/b12-9+